#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n02 n LEU 1 N 0.00 0.00 0.00 0.99 0.00 -1.26 -5.14 117.00 111.59 1n02 n LEU 1 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.01 1n02 n LEU 1 Cb 0.00 0.15 0.00 0.00 0.00 0.00 0.00 43.42 43.57 1n02 n LEU 1 CO 0.00 -0.15 0.00 0.61 0.00 0.00 0.00 177.39 177.85 1n02 n GLY 2 N -1.13 0.11 2.88 -3.96 0.00 -1.24 -4.71 105.19 97.14 1n02 n GLY 2 Ca 0.00 0.51 -0.07 0.00 0.00 0.00 0.00 46.02 46.46 1n02 n GLY 2 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1n02 n LYS 3 N 0.00 -1.53 -0.01 1.61 5.02 0.24 -4.68 118.16 118.82 1n02 n LYS 3 Ca 0.00 0.99 -0.20 0.00 -2.02 0.00 0.00 58.31 57.08 1n02 n LYS 3 Cb 0.00 -5.07 -0.14 0.00 -0.02 0.00 0.00 35.03 29.80 1n02 n LYS 3 CO 0.00 0.00 0.00 1.97 -0.52 0.00 0.00 177.40 178.85 1n02 n PHE 4 N -2.36 1.15 0.29 2.13 -1.74 -1.21 -4.06 117.46 111.66 1n02 n PHE 4 Ca -0.03 0.25 0.11 0.00 -0.56 0.00 0.00 57.45 57.23 1n02 n PHE 4 Cb 0.56 -1.15 0.53 0.00 1.52 0.00 0.00 39.48 40.93 1n02 n PHE 4 CO 0.00 0.00 0.00 1.51 -0.56 0.00 0.00 176.76 177.71 1n02 n ILE 5 N -3.43 0.93 0.19 1.97 0.13 -1.26 -0.38 119.36 117.51 1n02 n ILE 5 Ca -0.32 0.46 0.06 0.00 -1.10 0.00 0.00 62.75 61.85 1n02 n ILE 5 Cb 1.05 -1.42 0.27 0.00 -0.84 0.00 0.00 39.64 38.69 1n02 n ILE 5 CO 0.00 0.00 0.00 -0.33 2.80 0.00 0.00 176.55 179.02 1n02 h GLU 6 N 0.00 0.00 -0.00 9.51 5.08 -1.97 -3.25 114.58 123.96 1n02 h GLU 6 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1n02 h GLU 6 Cb 0.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.45 1n02 h GLU 6 CO 0.00 0.35 -0.02 0.25 -1.00 0.00 0.00 179.01 178.59 1n02 n THR 7 N -3.35 0.00 -4.13 1.13 -2.24 -0.62 -5.03 114.28 100.03 1n02 n THR 7 Ca 0.01 -0.49 -0.30 0.00 -2.27 0.00 0.00 64.05 61.00 1n02 n THR 7 Cb 0.56 1.02 -0.08 0.00 -2.10 0.00 0.00 70.33 69.73 1n02 n THR 7 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1n02 s ARG 9 N -2.35 1.62 -1.19 0.00 1.70 -0.02 -4.73 118.95 113.98 1n02 s ARG 9 Ca 0.26 -1.92 -0.19 0.00 -0.47 0.00 0.00 55.73 53.41 1n02 s ARG 9 Cb -0.12 -0.45 -0.00 0.00 -0.57 0.00 0.00 34.95 33.81 1n02 s ARG 9 CO 0.18 -0.34 0.72 0.27 -1.08 0.00 0.00 175.30 175.06 1n02 n ASN 10 N -0.79 -4.36 -4.72 -2.89 6.94 -1.26 -2.50 115.26 105.68 1n02 n ASN 10 Ca -0.01 -1.04 -0.42 0.00 -0.02 0.00 0.00 54.58 53.09 1n02 n ASN 10 Cb 0.66 -3.16 -0.04 0.00 -2.36 0.00 0.00 39.78 34.88 1n02 n ASN 10 CO 0.00 0.00 0.00 0.42 -1.03 0.00 0.00 177.26 176.65 1n02 s THR 11 N -3.55 4.60 0.18 5.53 -4.23 -1.26 -4.40 115.64 112.51 1n02 s THR 11 Ca 0.40 1.99 -0.18 0.00 -1.18 0.00 0.00 61.69 62.72 1n02 s THR 11 Cb -0.15 -4.27 0.04 0.00 1.34 0.00 0.00 72.50 69.45 1n02 s THR 11 CO 0.88 0.22 0.52 0.00 -0.54 0.00 0.00 174.62 175.70 1n02 s GLN 12 N 0.54 1.32 -0.12 3.99 -2.07 -0.95 -4.40 119.66 117.98 1n02 s GLN 12 Ca 0.50 -0.78 -0.11 0.00 -1.82 0.00 0.00 55.36 53.16 1n02 s GLN 12 Cb -0.23 0.53 -0.05 0.00 -1.09 0.00 0.00 33.01 32.17 1n02 s GLN 12 CO 0.29 -0.56 0.23 -1.17 -1.32 0.00 0.00 175.29 172.77 1n02 s LEU 13 N -2.84 4.34 0.04 2.60 2.96 -1.26 -1.21 118.68 123.31 1n02 s LEU 13 Ca 0.07 0.54 0.09 0.00 -0.22 0.00 0.00 54.13 54.61 1n02 s LEU 13 Cb -0.01 -2.26 -0.03 0.00 0.50 0.00 0.00 46.19 44.40 1n02 s LEU 13 CO -0.06 0.27 -0.26 0.00 -1.32 0.00 0.00 176.35 174.99 1n02 s ALA 14 N -0.41 2.20 0.00 5.97 0.00 0.44 -4.88 121.76 125.08 1n02 s ALA 14 Ca 0.16 -1.24 0.00 0.00 0.00 0.00 0.00 51.96 50.88 1n02 s ALA 14 Cb -0.13 -0.46 0.00 0.00 0.00 0.00 0.00 23.12 22.53 1n02 s ALA 14 CO 0.05 0.52 0.00 0.41 0.00 0.00 0.00 175.76 176.74 1n02 n GLY 15 N 1.80 1.00 0.12 0.00 0.00 -1.26 -1.05 105.19 105.80 1n02 n GLY 15 Ca -0.17 -0.67 -0.19 0.00 0.00 0.00 0.00 46.02 44.99 1n02 n GLY 15 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1n02 h SER 16 N 5.94 0.45 -0.26 1.61 0.02 -1.97 -3.41 113.55 115.93 1n02 h SER 16 Ca 0.00 -0.68 -0.21 0.00 -0.84 0.00 0.00 61.79 60.05 1n02 h SER 16 Cb 0.00 -0.15 -0.37 0.00 0.14 0.00 0.00 62.40 62.02 1n02 h SER 16 CO 0.00 1.58 -1.02 -1.54 -1.14 0.00 0.00 176.83 174.71 1n02 n SER 17 N -3.48 1.12 -4.51 3.07 3.41 -1.25 -4.70 113.62 107.28 1n02 n SER 17 Ca -0.21 -2.03 -0.31 0.00 -0.26 0.00 0.00 58.87 56.06 1n02 n SER 17 Cb 1.06 -0.33 -0.12 0.00 -0.26 0.00 0.00 64.21 64.56 1n02 n SER 17 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1n02 s GLU 18 N -2.29 2.29 -0.16 4.33 8.01 -0.21 -0.98 118.70 129.68 1n02 s GLU 18 Ca 0.27 -0.86 0.00 0.00 0.01 0.00 0.00 54.97 54.40 1n02 s GLU 18 Cb 0.34 -2.32 0.00 0.00 -4.31 0.00 0.00 34.13 27.84 1n02 s GLU 18 CO -0.08 0.57 -0.16 -1.17 0.01 0.00 0.00 175.26 174.42 1n02 s LEU 19 N -1.36 2.38 0.00 1.80 2.96 -0.33 0.17 118.68 124.30 1n02 s LEU 19 Ca 0.15 -0.52 0.07 0.00 -0.22 0.00 0.00 54.13 53.61 1n02 s LEU 19 Cb -0.11 -1.54 -0.03 0.00 0.50 0.00 0.00 46.19 45.02 1n02 s LEU 19 CO 0.06 0.06 -0.21 0.00 -1.32 0.00 0.00 176.35 174.94 1n02 s ALA 20 N 0.97 2.43 0.29 5.97 0.00 -0.35 -0.34 121.76 130.72 1n02 s ALA 20 Ca -0.03 -1.13 -0.20 0.00 0.00 0.00 0.00 51.96 50.60 1n02 s ALA 20 Cb -0.15 -0.70 0.03 0.00 0.00 0.00 0.00 23.12 22.31 1n02 s ALA 20 CO -0.03 0.55 0.77 0.00 0.00 0.00 0.00 175.76 177.05 1n02 s ALA 21 N -0.76 -1.18 -0.09 0.00 0.00 0.67 -2.23 121.76 118.18 1n02 s ALA 21 Ca 0.12 -0.36 0.03 0.00 0.00 0.00 0.00 51.96 51.75 1n02 s ALA 21 Cb -0.10 0.78 -0.01 0.00 0.00 0.00 0.00 23.12 23.79 1n02 s ALA 21 CO 0.02 -1.03 -0.17 -1.21 0.00 0.00 0.00 175.76 173.36 1n02 s GLU 22 N -3.44 2.95 -0.04 0.00 2.02 -1.04 0.11 118.70 119.27 1n02 s GLU 22 Ca 0.12 -0.76 0.03 0.00 0.02 0.00 0.00 54.97 54.38 1n02 s GLU 22 Cb -0.05 -2.43 0.00 0.00 0.10 0.00 0.00 34.13 31.75 1n02 s GLU 22 CO 0.07 0.35 -0.11 0.00 0.02 0.00 0.00 175.26 175.59 1n02 s LYS 24 N 0.28 4.32 0.54 0.00 -2.85 -1.13 -2.69 119.74 118.20 1n02 s LYS 24 Ca -0.05 2.24 -0.06 0.00 -1.00 0.00 0.00 55.97 57.10 1n02 s LYS 24 Cb -0.10 -3.09 0.12 0.00 -2.06 0.00 0.00 37.83 32.69 1n02 s LYS 24 CO 0.01 -0.28 0.73 0.25 0.10 0.00 0.00 175.35 176.16 1n02 n THR 25 N 1.49 0.00 0.21 3.79 -2.24 0.32 -4.03 114.28 113.82 1n02 n THR 25 Ca 0.03 -0.75 0.06 0.00 -2.27 0.00 0.00 64.05 61.12 1n02 n THR 25 Cb 0.41 -1.45 0.54 0.00 -2.10 0.00 0.00 70.33 67.74 1n02 n THR 25 CO 0.00 0.00 0.00 0.03 -0.57 0.00 0.00 175.07 174.53 1n02 h ARG 26 N 0.00 0.06 -0.10 -0.78 2.47 -1.88 -1.57 114.38 112.58 1n02 h ARG 26 Ca -0.24 -0.01 0.00 0.00 -1.26 0.00 0.00 59.98 58.47 1n02 h ARG 26 Cb 0.74 -0.01 0.00 0.00 -1.65 0.00 0.00 29.97 29.05 1n02 h ARG 26 CO 0.20 0.14 0.00 0.00 0.56 0.00 0.00 179.97 180.87 1n02 n ALA 27 N -2.52 2.50 -3.08 0.04 0.00 -1.26 -4.87 120.51 111.32 1n02 n ALA 27 Ca -0.02 -0.19 -0.16 0.00 0.00 0.00 0.00 53.44 53.07 1n02 n ALA 27 Cb 0.17 -1.03 0.04 0.00 0.00 0.00 0.00 19.45 18.63 1n02 n ALA 27 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1n02 n GLN 28 N -0.24 -4.65 -5.06 0.00 1.13 -0.59 -5.02 117.38 102.95 1n02 n GLN 28 Ca 0.05 0.57 -0.32 0.00 -1.94 0.00 0.00 57.00 55.36 1n02 n GLN 28 Cb 0.10 -4.77 -0.15 0.00 0.11 0.00 0.00 30.24 25.53 1n02 n GLN 28 CO 0.00 0.00 0.00 -0.65 -1.44 0.00 0.00 177.06 174.97 1n02 s GLN 29 N -5.69 2.61 -0.20 -1.09 -1.52 -1.26 -4.86 119.66 107.65 1n02 s GLN 29 Ca 0.33 -0.80 -0.17 0.00 -1.95 0.00 0.00 55.36 52.77 1n02 s GLN 29 Cb -0.15 -2.30 -0.04 0.00 -0.22 0.00 0.00 33.01 30.31 1n02 s GLN 29 CO 0.41 0.47 0.45 -0.06 -0.25 0.00 0.00 175.29 176.30 1n02 s PHE 30 N -0.34 3.37 0.07 0.91 0.40 -1.26 0.12 117.98 121.24 1n02 s PHE 30 Ca 0.02 0.68 0.06 0.00 -0.60 0.00 0.00 56.93 57.09 1n02 s PHE 30 Cb -0.12 -2.59 -0.03 0.00 0.51 0.00 0.00 43.02 40.79 1n02 s PHE 30 CO 0.02 -0.05 -0.16 0.14 0.70 0.00 0.00 175.22 175.87 1n02 s VAL 31 N 1.47 1.23 0.19 -0.44 -7.23 -1.10 -4.94 120.40 109.58 1n02 s VAL 31 Ca 0.21 -1.30 -0.30 0.00 -1.81 0.00 0.00 61.98 58.78 1n02 s VAL 31 Cb -0.15 -1.16 -0.08 0.00 0.56 0.00 0.00 36.38 35.55 1n02 s VAL 31 CO 0.09 -0.15 1.24 -0.44 -0.31 0.00 0.00 175.10 175.52 1n02 s SER 32 N -1.67 7.02 0.08 4.85 0.01 -1.26 -1.25 113.70 121.48 1n02 s SER 32 Ca 0.00 2.29 -0.04 0.00 1.31 0.00 0.00 55.95 59.51 1n02 s SER 32 Cb -0.10 -2.61 -0.03 0.00 0.21 0.00 0.00 66.02 63.50 1n02 s SER 32 CO 0.02 -0.43 0.08 0.28 0.41 0.00 0.00 173.24 173.60 1n02 s THR 33 N 0.02 0.16 0.04 1.44 -1.32 0.30 -4.91 115.64 111.37 1n02 s THR 33 Ca 0.54 -1.59 -0.04 0.00 -1.21 0.00 0.00 61.69 59.39 1n02 s THR 33 Cb -0.34 -1.57 -0.02 0.00 -1.51 0.00 0.00 72.50 69.06 1n02 s THR 33 CO 0.37 -0.75 0.06 -0.75 -2.21 0.00 0.00 174.62 171.34 1n02 s LYS 34 N -3.92 0.58 -0.05 7.08 2.20 -1.26 -0.23 119.74 124.13 1n02 s LYS 34 Ca 0.10 -0.86 0.00 0.00 -0.36 0.00 0.00 55.97 54.85 1n02 s LYS 34 Cb 0.07 0.22 0.02 0.00 -1.51 0.00 0.00 37.83 36.63 1n02 s LYS 34 CO -0.08 -0.13 -0.02 -1.50 -0.36 0.00 0.00 175.35 173.26 1n02 s ILE 35 N -2.87 0.37 -0.34 5.43 1.10 0.54 -4.39 121.20 121.04 1n02 s ILE 35 Ca -0.03 0.02 -0.23 0.00 -0.51 0.00 0.00 60.65 59.89 1n02 s ILE 35 Cb 0.00 -0.45 0.01 0.00 0.15 0.00 0.00 42.46 42.17 1n02 s ILE 35 CO -0.06 0.21 0.79 0.21 -2.11 0.00 0.00 174.94 173.98 1n02 s ASN 36 N 1.23 6.60 0.18 4.50 2.47 -1.26 -1.18 114.94 127.47 1n02 s ASN 36 Ca -0.07 0.48 0.24 0.00 0.42 0.00 0.00 52.86 53.94 1n02 s ASN 36 Cb -0.14 -2.40 0.41 0.00 -1.45 0.00 0.00 41.25 37.67 1n02 s ASN 36 CO -0.02 -0.70 1.42 -0.07 -3.72 0.00 0.00 177.10 174.01 1n02 h LEU 37 N 9.66 0.00 -0.46 3.21 4.07 -1.41 -3.31 115.31 127.06 1n02 h LEU 37 Ca -0.24 -0.12 0.07 0.00 0.08 0.00 0.00 57.88 57.67 1n02 h LEU 37 Cb 1.09 0.00 -0.06 0.00 1.08 0.00 0.00 40.66 42.78 1n02 h LEU 37 CO 0.91 0.06 0.13 0.44 -1.08 0.00 0.00 178.44 178.89 1n02 h ASP 38 N 0.00 0.08 0.39 -0.43 5.19 -1.60 0.91 116.42 120.97 1n02 h ASP 38 Ca 0.00 0.07 0.00 0.00 -0.62 0.00 0.00 57.03 56.48 1n02 h ASP 38 Cb 0.80 0.07 0.00 0.00 0.18 0.00 0.00 39.33 40.38 1n02 h ASP 38 CO 0.00 0.08 -0.59 -0.90 -3.12 0.00 0.00 179.24 174.71 1n02 n ASP 39 N -5.06 0.62 -0.02 6.45 5.68 -1.26 -0.98 116.55 121.98 1n02 n ASP 39 Ca 0.04 -0.42 -0.02 0.00 -0.50 0.00 0.00 54.79 53.89 1n02 n ASP 39 Cb 0.20 0.40 -0.01 0.00 -1.14 0.00 0.00 41.12 40.57 1n02 n ASP 39 CO 0.00 0.00 0.00 1.41 -1.33 0.00 0.00 177.20 177.28 1n02 n HIS 40 N -1.47 0.12 -2.80 2.11 8.25 -0.85 -3.67 115.22 116.92 1n02 n HIS 40 Ca 0.05 0.05 -0.34 0.00 -0.26 0.00 0.00 57.72 57.23 1n02 n HIS 40 Cb 0.34 -0.26 -0.07 0.00 1.12 0.00 0.00 29.99 31.12 1n02 n HIS 40 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1n02 s ILE 41 N -1.48 4.31 0.23 1.59 -1.09 0.31 -0.44 121.20 124.63 1n02 s ILE 41 Ca -0.07 1.57 -0.00 0.00 -2.23 0.00 0.00 60.65 59.92 1n02 s ILE 41 Cb 0.01 -3.71 -0.03 0.00 -1.58 0.00 0.00 42.46 37.14 1n02 s ILE 41 CO 0.10 -0.18 0.19 0.00 -1.23 0.00 0.00 174.94 173.82 1n02 s ALA 42 N -2.01 1.18 -0.28 9.38 0.00 0.29 -3.70 121.76 126.62 1n02 s ALA 42 Ca 0.59 -1.70 -0.03 0.00 0.00 0.00 0.00 51.96 50.81 1n02 s ALA 42 Cb -0.12 1.38 0.03 0.00 0.00 0.00 0.00 23.12 24.41 1n02 s ALA 42 CO 0.16 -0.63 0.00 1.21 0.00 0.00 0.00 175.76 176.51 1n02 s ASN 43 N -3.19 4.77 -0.65 0.00 2.47 -1.26 -1.29 114.94 115.79 1n02 s ASN 43 Ca 0.38 -1.01 -0.02 0.00 0.42 0.00 0.00 52.86 52.64 1n02 s ASN 43 Cb 0.06 -1.74 0.17 0.00 -1.45 0.00 0.00 41.25 38.28 1n02 s ASN 43 CO 0.15 -0.21 0.46 -0.63 -3.72 0.00 0.00 177.10 173.15 1n02 s ILE 44 N 1.34 3.65 -0.66 -5.21 1.09 0.32 -4.66 121.20 117.07 1n02 s ILE 44 Ca -0.01 -3.14 -0.03 0.00 -1.10 0.00 0.00 60.65 56.36 1n02 s ILE 44 Cb -0.18 -3.38 0.00 0.00 -1.06 0.00 0.00 42.46 37.85 1n02 s ILE 44 CO -0.01 -0.90 0.44 -0.67 -0.10 0.00 0.00 174.94 173.70 1n02 n ASP 45 N 3.27 -3.87 0.00 3.58 2.03 -1.26 -2.89 116.55 117.40 1n02 n ASP 45 Ca 0.09 -0.20 0.00 0.00 0.52 0.00 0.00 54.79 55.20 1n02 n ASP 45 Cb 0.37 -2.56 0.00 0.00 -0.72 0.00 0.00 41.12 38.21 1n02 n ASP 45 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1n02 n GLY 46 N -1.16 0.87 3.53 0.27 0.00 -1.05 -4.20 105.19 103.45 1n02 n GLY 46 Ca -0.02 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.67 1n02 n GLY 46 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1n02 s THR 47 N -3.47 3.66 -0.24 2.61 2.01 -1.14 -4.53 115.64 114.55 1n02 s THR 47 Ca 0.00 -0.47 -0.29 0.00 0.31 0.00 0.00 61.69 61.24 1n02 s THR 47 Cb 0.00 -2.53 0.00 0.00 0.01 0.00 0.00 72.50 69.98 1n02 s THR 47 CO 0.00 0.56 1.17 -0.76 -0.69 0.00 0.00 174.62 174.90 1n02 s LEU 48 N -0.31 4.06 0.12 4.42 1.43 -1.26 -0.52 118.68 126.61 1n02 s LEU 48 Ca 0.04 1.40 0.01 0.00 -1.03 0.00 0.00 54.13 54.54 1n02 s LEU 48 Cb -0.13 -3.54 -0.04 0.00 0.03 0.00 0.00 46.19 42.51 1n02 s LEU 48 CO 0.02 -0.81 -0.01 -0.54 0.23 0.00 0.00 176.35 175.24 1n02 s LYS 49 N 3.56 0.90 -0.26 1.70 1.02 -0.41 -4.90 119.74 121.35 1n02 s LYS 49 Ca 0.50 -1.40 -0.24 0.00 0.02 0.00 0.00 55.97 54.85 1n02 s LYS 49 Cb -0.17 -0.03 -0.01 0.00 -0.52 0.00 0.00 37.83 37.11 1n02 s LYS 49 CO 0.14 -0.13 0.79 -1.58 -0.92 0.00 0.00 175.35 173.65 1n02 s TRP 50 N -3.80 3.28 -0.24 3.18 0.51 -1.26 0.11 118.94 120.71 1n02 s TRP 50 Ca 0.18 1.02 -0.29 0.00 -2.12 0.00 0.00 56.10 54.89 1n02 s TRP 50 Cb 0.07 -3.06 0.16 0.00 -0.81 0.00 0.00 33.47 29.83 1n02 s TRP 50 CO -0.01 -0.43 1.21 -1.14 -0.51 0.00 0.00 176.95 176.07 1n02 s GLN 51 N 2.82 0.29 -0.49 4.98 0.74 0.42 -4.86 119.66 123.56 1n02 s GLN 51 Ca 0.33 0.11 -0.25 0.00 0.05 0.00 0.00 55.36 55.60 1n02 s GLN 51 Cb -0.15 0.14 -0.24 0.00 1.10 0.00 0.00 33.01 33.86 1n02 s GLN 51 CO 0.09 -0.08 1.80 -2.30 -0.55 0.00 0.00 175.29 174.24 1n02 n PRO 52 N 0.83 0.92 -3.64 1.67 -0.02 -1.24 -3.81 135.00 129.71 1n02 n PRO 52 Ca -0.06 -1.53 -0.08 0.00 -2.02 0.00 0.00 63.50 59.81 1n02 n PRO 52 Cb 0.58 -2.78 -0.07 0.00 -0.02 0.00 0.00 33.50 31.21 1n02 n PRO 52 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1n02 s SER 53 N 5.82 -0.76 -0.55 2.55 1.04 -1.25 -4.99 113.70 115.57 1n02 s SER 53 Ca 0.62 1.29 -0.28 0.00 0.48 0.00 0.00 55.95 58.07 1n02 s SER 53 Cb 0.14 1.31 0.03 0.00 0.10 0.00 0.00 66.02 67.61 1n02 s SER 53 CO 0.21 -0.21 1.13 0.20 0.98 0.00 0.00 173.24 175.55 1n02 s ASN 54 N 1.10 6.48 0.53 7.02 0.01 -0.15 -3.00 114.94 126.93 1n02 s ASN 54 Ca -0.06 0.12 0.35 0.00 -0.71 0.00 0.00 52.86 52.57 1n02 s ASN 54 Cb -0.05 -2.53 1.51 0.00 0.41 0.00 0.00 41.25 40.60 1n02 s ASN 54 CO -0.12 -1.37 1.78 2.19 -1.51 0.00 0.00 177.10 178.07 1n02 h PHE 55 N 9.42 0.08 0.00 2.20 -5.15 -1.78 -0.47 116.94 121.24 1n02 h PHE 55 Ca -0.25 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.53 1n02 h PHE 55 Cb 1.06 -0.02 0.00 0.00 0.22 0.00 0.00 35.95 37.21 1n02 h PHE 55 CO 1.00 0.00 0.57 0.66 -2.00 0.00 0.00 178.31 178.54 1n02 h SER 56 N 0.04 0.00 0.17 -0.68 4.64 -1.89 0.13 113.55 115.97 1n02 h SER 56 Ca 0.59 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.86 1n02 h SER 56 Cb 2.28 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 64.36 1n02 h SER 56 CO -0.05 0.00 -0.21 1.56 -0.87 0.00 0.00 176.83 177.26 1n02 h GLN 57 N 0.00 0.09 0.00 4.77 1.08 -1.49 -3.18 115.11 116.38 1n02 h GLN 57 Ca 0.00 -0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.18 1n02 h GLN 57 Cb 1.14 -0.01 0.00 0.00 -0.05 0.00 0.00 27.48 28.56 1n02 h GLN 57 CO 0.00 0.30 0.00 0.25 -0.95 0.00 0.00 178.83 178.43 1n02 n THR 58 N -4.25 0.32 -4.46 -0.54 -2.24 0.36 -5.06 114.28 98.43 1n02 n THR 58 Ca -0.02 -0.51 -0.30 0.00 -2.27 0.00 0.00 64.05 60.95 1n02 n THR 58 Cb 0.29 1.00 -0.12 0.00 -2.10 0.00 0.00 70.33 69.40 1n02 n THR 58 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1n02 s TYR 60 N -1.05 0.32 -1.08 0.00 1.13 0.20 -4.59 117.35 112.28 1n02 s TYR 60 Ca 0.16 -0.75 -0.03 0.00 -1.41 0.00 0.00 57.07 55.04 1n02 s TYR 60 Cb -0.10 -0.22 0.00 0.00 -1.10 0.00 0.00 41.96 40.54 1n02 s TYR 60 CO 0.08 -0.40 0.92 0.09 -2.51 0.00 0.00 175.55 173.72 1n02 n ASN 61 N 0.35 -3.65 -4.75 -0.18 4.13 -1.26 -2.86 115.26 107.05 1n02 n ASN 61 Ca -0.16 -0.50 -0.41 0.00 1.68 0.00 0.00 54.58 55.19 1n02 n ASN 61 Cb 0.60 -4.40 -0.03 0.00 -1.54 0.00 0.00 39.78 34.41 1n02 n ASN 61 CO 0.00 0.00 0.00 -0.44 0.28 0.00 0.00 177.26 177.10 1n02 s SER 62 N -3.77 6.94 0.02 6.41 0.01 -1.26 -4.28 113.70 117.77 1n02 s SER 62 Ca 0.22 2.43 -0.01 0.00 1.31 0.00 0.00 55.95 59.89 1n02 s SER 62 Cb -0.10 -2.62 -0.02 0.00 0.21 0.00 0.00 66.02 63.50 1n02 s SER 62 CO 0.62 -0.46 -0.00 0.00 0.41 0.00 0.00 173.24 173.80 1n02 s ALA 63 N -0.32 0.09 -0.01 1.44 0.00 0.42 -4.94 121.76 118.44 1n02 s ALA 63 Ca 0.53 -0.59 0.04 0.00 0.00 0.00 0.00 51.96 51.94 1n02 s ALA 63 Cb -0.36 0.16 -0.01 0.00 0.00 0.00 0.00 23.12 22.91 1n02 s ALA 63 CO 0.41 -0.19 -0.13 0.42 0.00 0.00 0.00 175.76 176.27 1n02 s ILE 64 N -1.75 0.99 -0.16 0.00 1.01 -1.26 0.91 121.20 120.93 1n02 s ILE 64 Ca -0.13 -0.53 -0.04 0.00 0.00 0.00 0.00 60.65 59.94 1n02 s ILE 64 Cb -0.08 -0.83 0.06 0.00 0.01 0.00 0.00 42.46 41.62 1n02 s ILE 64 CO -0.02 0.28 0.08 -1.10 0.00 0.00 0.00 174.94 174.18 1n02 s GLN 65 N -0.26 0.12 7.71 2.79 -0.21 -0.90 -4.54 119.66 124.36 1n02 s GLN 65 Ca 0.04 -0.07 0.00 0.00 0.02 0.00 0.00 55.36 55.35 1n02 s GLN 65 Cb -0.05 -1.73 0.00 0.00 1.00 0.00 0.00 33.01 32.23 1n02 s GLN 65 CO -0.00 -0.63 0.00 0.41 -2.12 0.00 0.00 175.29 172.94 1n02 n GLY 66 N 5.26 3.00 0.53 3.09 0.00 -1.26 -2.54 105.19 113.27 1n02 n GLY 66 Ca -0.07 -0.21 0.10 0.00 0.00 0.00 0.00 46.02 45.85 1n02 n GLY 66 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1n02 n SER 67 N 8.04 2.06 -4.83 1.61 3.41 -1.26 -4.72 113.62 117.93 1n02 n SER 67 Ca 0.00 -1.53 -0.36 0.00 -0.26 0.00 0.00 58.87 56.71 1n02 n SER 67 Cb 0.00 0.38 -0.07 0.00 -0.26 0.00 0.00 64.21 64.26 1n02 n SER 67 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1n02 s VAL 68 N -2.15 5.21 -0.21 -3.33 1.01 -1.05 -2.06 120.40 117.82 1n02 s VAL 68 Ca 0.18 0.10 -0.09 0.00 0.00 0.00 0.00 61.98 62.17 1n02 s VAL 68 Cb 0.16 -3.25 -0.04 0.00 0.00 0.00 0.00 36.38 33.25 1n02 s VAL 68 CO 0.45 0.61 0.11 -0.22 0.00 0.00 0.00 175.10 176.06 1n02 s LEU 69 N -0.97 3.93 -0.15 3.92 2.96 -0.55 -2.12 118.68 125.69 1n02 s LEU 69 Ca 0.14 0.07 0.01 0.00 -0.22 0.00 0.00 54.13 54.13 1n02 s LEU 69 Cb -0.12 -2.03 0.00 0.00 0.50 0.00 0.00 46.19 44.55 1n02 s LEU 69 CO 0.03 0.11 -0.17 -0.89 -1.32 0.00 0.00 176.35 174.12 1n02 s THR 70 N 0.78 2.53 0.03 3.68 2.01 0.26 -2.68 115.64 122.24 1n02 s THR 70 Ca 0.06 -0.82 -0.17 0.00 0.31 0.00 0.00 61.69 61.07 1n02 s THR 70 Cb -0.13 -2.06 0.03 0.00 0.01 0.00 0.00 72.50 70.35 1n02 s THR 70 CO 0.02 0.52 0.38 -0.55 -0.69 0.00 0.00 174.62 174.30 1n02 s SER 71 N 0.83 -0.24 -0.19 3.53 0.15 -1.18 0.16 113.70 116.76 1n02 s SER 71 Ca -0.05 -0.00 -0.15 0.00 0.70 0.00 0.00 55.95 56.44 1n02 s SER 71 Cb -0.15 0.39 -0.04 0.00 -1.71 0.00 0.00 66.02 64.51 1n02 s SER 71 CO -0.01 -0.61 0.37 -0.89 1.20 0.00 0.00 173.24 173.31 1n02 s THR 72 N -2.22 5.22 0.04 6.45 2.01 -1.14 -1.58 115.64 124.44 1n02 s THR 72 Ca -0.07 0.66 0.06 0.00 0.31 0.00 0.00 61.69 62.66 1n02 s THR 72 Cb -0.02 -3.70 -0.02 0.00 0.01 0.00 0.00 72.50 68.77 1n02 s THR 72 CO -0.01 0.28 -0.18 0.00 -0.69 0.00 0.00 174.62 174.02 1n02 s GLU 74 N -1.19 4.60 0.09 0.00 2.12 0.10 0.77 118.70 125.19 1n02 s GLU 74 Ca 0.05 1.78 -0.11 0.00 0.36 0.00 0.00 54.97 57.05 1n02 s GLU 74 Cb -0.08 -3.23 -0.06 0.00 0.26 0.00 0.00 34.13 31.01 1n02 s GLU 74 CO 0.02 0.11 0.44 1.03 -0.54 0.00 0.00 175.26 176.31 1n02 s ARG 75 N -0.80 3.82 0.59 4.30 0.52 -1.12 -2.51 118.95 123.74 1n02 s ARG 75 Ca 0.48 0.26 0.29 0.00 -0.52 0.00 0.00 55.73 56.24 1n02 s ARG 75 Cb -0.31 -2.99 1.47 0.00 0.52 0.00 0.00 34.95 33.64 1n02 s ARG 75 CO 0.38 0.55 1.89 1.15 0.02 0.00 0.00 175.30 179.29 1n02 h THR 76 N 2.89 0.37 -0.01 0.02 2.02 -1.93 0.86 112.91 117.14 1n02 h THR 76 Ca -0.49 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.69 1n02 h THR 76 Cb 1.19 0.61 0.00 0.00 -1.74 0.00 0.00 68.15 68.21 1n02 h THR 76 CO 0.66 0.00 0.00 -3.20 0.37 0.00 0.00 175.52 173.35 1n02 n ASN 77 N -3.74 0.44 0.00 4.18 2.85 -1.26 -5.00 115.26 112.73 1n02 n ASN 77 Ca 0.09 -1.17 0.00 0.00 -0.11 0.00 0.00 54.58 53.39 1n02 n ASN 77 Cb 0.69 -0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.71 1n02 n ASN 77 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1n02 n GLY 78 N 1.04 -0.03 0.00 8.20 0.00 0.30 -5.12 105.19 109.59 1n02 n GLY 78 Ca 0.22 -1.35 0.00 0.00 0.00 0.00 0.00 46.02 44.89 1n02 n GLY 78 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1n02 n GLY 79 N 1.07 -0.26 3.07 -0.02 0.00 -1.26 -4.67 105.19 103.11 1n02 n GLY 79 Ca 0.00 -2.23 -0.19 0.00 0.00 0.00 0.00 46.02 43.61 1n02 n GLY 79 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1n02 s TYR 80 N 0.00 0.94 -0.20 1.61 2.02 -1.26 -2.81 117.35 117.65 1n02 s TYR 80 Ca 0.00 -0.25 -0.11 0.00 -0.37 0.00 0.00 57.07 56.34 1n02 s TYR 80 Cb 0.00 -0.58 0.07 0.00 -0.40 0.00 0.00 41.96 41.05 1n02 s TYR 80 CO 0.00 -0.01 0.49 1.21 -1.57 0.00 0.00 175.55 175.67 1n02 s ASN 81 N -0.65 -0.62 -0.06 2.29 2.47 0.23 -4.90 114.94 113.71 1n02 s ASN 81 Ca 0.02 1.08 -0.17 0.00 0.42 0.00 0.00 52.86 54.21 1n02 s ASN 81 Cb -0.06 1.02 -0.05 0.00 -1.45 0.00 0.00 41.25 40.72 1n02 s ASN 81 CO 0.00 -0.21 0.45 0.28 -3.72 0.00 0.00 177.10 173.90 1n02 s THR 82 N 1.62 5.09 0.23 -5.21 -1.32 -1.26 0.73 115.64 115.51 1n02 s THR 82 Ca -0.09 0.91 0.11 0.00 -1.21 0.00 0.00 61.69 61.40 1n02 s THR 82 Cb -0.08 -3.77 -0.05 0.00 -1.51 0.00 0.00 72.50 67.09 1n02 s THR 82 CO -0.15 0.45 -0.20 -0.94 -2.21 0.00 0.00 174.62 171.58 1n02 s SER 83 N -0.21 3.22 0.06 8.08 1.04 -0.61 -4.92 113.70 120.36 1n02 s SER 83 Ca 0.25 -0.97 0.09 0.00 0.48 0.00 0.00 55.95 55.80 1n02 s SER 83 Cb -0.16 -0.24 -0.03 0.00 0.10 0.00 0.00 66.02 65.69 1n02 s SER 83 CO 0.12 0.01 -0.24 -0.44 0.98 0.00 0.00 173.24 173.67 1n02 s SER 84 N -3.16 2.83 -0.03 7.02 0.01 -1.26 -3.10 113.70 116.01 1n02 s SER 84 Ca 0.24 -0.59 -0.06 0.00 1.31 0.00 0.00 55.95 56.85 1n02 s SER 84 Cb -0.05 -0.23 0.01 0.00 0.21 0.00 0.00 66.02 65.96 1n02 s SER 84 CO 0.11 0.19 0.14 -0.51 0.41 0.00 0.00 173.24 173.58 1n02 s ILE 85 N -0.87 0.03 -0.37 1.44 2.07 -1.09 -4.92 121.20 117.48 1n02 s ILE 85 Ca 0.10 -0.24 -0.16 0.00 -1.41 0.00 0.00 60.65 58.93 1n02 s ILE 85 Cb -0.09 -0.28 0.00 0.00 0.13 0.00 0.00 42.46 42.21 1n02 s ILE 85 CO 0.03 -0.13 0.41 -0.62 -1.91 0.00 0.00 174.94 172.72 1n02 s ASP 86 N -0.42 6.21 0.00 4.50 -1.08 -1.26 -1.48 116.67 123.13 1n02 s ASP 86 Ca -0.05 -0.36 0.24 0.00 -0.52 0.00 0.00 52.55 51.86 1n02 s ASP 86 Cb -0.03 -2.22 0.24 0.00 -1.46 0.00 0.00 42.92 39.44 1n02 s ASP 86 CO 0.01 -0.45 1.24 0.18 0.52 0.00 0.00 175.17 176.66 1n02 n LEU 87 N 5.53 1.57 -0.34 -1.34 4.77 -0.87 -4.45 117.00 121.87 1n02 n LEU 87 Ca -0.08 -0.55 0.36 0.00 -0.03 0.00 0.00 56.01 55.71 1n02 n LEU 87 Cb 0.49 -0.05 0.69 0.00 -2.33 0.00 0.00 43.42 42.22 1n02 n LEU 87 CO 0.43 0.30 1.33 -1.13 -1.33 0.00 0.00 177.39 176.99 1n02 h ASN 88 N 1.76 0.00 0.27 -1.43 -0.00 -1.87 0.30 115.58 114.62 1n02 h ASN 88 Ca 0.00 0.00 -0.34 0.00 -0.00 0.00 0.00 56.30 55.96 1n02 h ASN 88 Cb 0.65 0.00 0.02 0.00 -0.00 0.00 0.00 38.32 38.99 1n02 h ASN 88 CO 0.00 0.00 -1.57 0.28 -0.00 0.00 0.00 177.43 176.14 1n02 h SER 89 N 0.00 0.72 0.14 1.15 0.02 -1.93 0.70 113.55 114.35 1n02 h SER 89 Ca 0.59 -0.87 -0.01 0.00 -0.84 0.00 0.00 61.79 60.66 1n02 h SER 89 Cb 2.66 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 64.97 1n02 h SER 89 CO -0.01 1.70 -0.07 -0.37 -1.14 0.00 0.00 176.83 176.95 1n02 h VAL 90 N 0.13 0.93 -3.84 2.27 -1.51 -0.70 -3.29 116.25 110.23 1n02 h VAL 90 Ca -0.28 -1.18 -0.47 0.00 -1.23 0.00 0.00 66.70 63.54 1n02 h VAL 90 Cb 2.13 1.56 -0.02 0.00 -2.13 0.00 0.00 31.29 32.82 1n02 h VAL 90 CO 0.23 0.24 0.23 -0.63 -1.23 0.00 0.00 177.57 176.42 1n02 s ILE 91 N -3.44 4.46 0.16 7.19 1.09 -0.78 -4.02 121.20 125.86 1n02 s ILE 91 Ca -0.13 1.38 -0.00 0.00 -1.10 0.00 0.00 60.65 60.80 1n02 s ILE 91 Cb 0.00 -3.74 -0.04 0.00 -1.06 0.00 0.00 42.46 37.62 1n02 s ILE 91 CO 0.50 -0.08 0.07 -0.70 -0.10 0.00 0.00 174.94 174.62 1n02 s GLU 92 N -2.66 1.06 -0.48 2.79 2.12 0.38 -3.32 118.70 118.60 1n02 s GLU 92 Ca 0.54 -1.53 -0.09 0.00 0.36 0.00 0.00 54.97 54.25 1n02 s GLU 92 Cb -0.13 0.12 0.12 0.00 0.26 0.00 0.00 34.13 34.50 1n02 s GLU 92 CO 0.18 -0.27 0.35 1.21 -0.54 0.00 0.00 175.26 176.19 1n02 s ASN 93 N -3.12 5.69 -0.65 -1.70 2.47 -1.26 -0.51 114.94 115.87 1n02 s ASN 93 Ca 0.29 -1.94 -0.16 0.00 0.42 0.00 0.00 52.86 51.46 1n02 s ASN 93 Cb 0.07 -2.00 0.15 0.00 -1.45 0.00 0.00 41.25 38.02 1n02 s ASN 93 CO 0.05 -0.68 0.65 -0.69 -3.72 0.00 0.00 177.10 172.71 1n02 s VAL 94 N 1.32 5.21 -1.31 -5.21 1.01 0.12 -4.51 120.40 117.02 1n02 s VAL 94 Ca 0.06 -1.66 -0.05 0.00 0.00 0.00 0.00 61.98 60.33 1n02 s VAL 94 Cb -0.26 -4.43 0.03 0.00 0.00 0.00 0.00 36.38 31.73 1n02 s VAL 94 CO -0.01 -1.00 0.38 -0.67 0.00 0.00 0.00 175.10 173.80 1n02 n ASP 95 N 5.21 -4.44 0.00 3.32 2.03 -1.26 -1.74 116.55 119.66 1n02 n ASP 95 Ca -0.04 -0.20 0.00 0.00 0.52 0.00 0.00 54.79 55.07 1n02 n ASP 95 Cb 0.43 -3.67 0.00 0.00 -0.72 0.00 0.00 41.12 37.16 1n02 n ASP 95 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1n02 n GLY 96 N -1.16 1.28 2.87 0.27 0.00 -1.26 -4.67 105.19 102.53 1n02 n GLY 96 Ca -0.08 -0.36 -0.13 0.00 0.00 0.00 0.00 46.02 45.45 1n02 n GLY 96 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1n02 s SER 97 N -2.39 -0.02 -0.15 1.61 0.15 -0.71 -4.54 113.70 107.64 1n02 s SER 97 Ca 0.00 0.11 -0.29 0.00 0.70 0.00 0.00 55.95 56.47 1n02 s SER 97 Cb 0.00 0.06 -0.02 0.00 -1.71 0.00 0.00 66.02 64.35 1n02 s SER 97 CO 0.00 -0.07 1.30 -0.76 1.20 0.00 0.00 173.24 174.90 1n02 s LEU 98 N 0.54 4.20 -0.02 3.45 1.43 -1.25 0.10 118.68 127.13 1n02 s LEU 98 Ca -0.04 1.74 0.07 0.00 -1.03 0.00 0.00 54.13 54.87 1n02 s LEU 98 Cb -0.06 -3.54 -0.02 0.00 0.03 0.00 0.00 46.19 42.61 1n02 s LEU 98 CO -0.02 -0.77 -0.23 -0.54 0.23 0.00 0.00 176.35 175.02 1n02 s LYS 99 N 3.53 1.92 0.11 1.70 1.02 0.33 -4.79 119.74 123.56 1n02 s LYS 99 Ca 0.56 -0.81 0.09 0.00 0.02 0.00 0.00 55.97 55.83 1n02 s LYS 99 Cb -0.23 -1.81 -0.19 0.00 -0.52 0.00 0.00 37.83 35.09 1n02 s LYS 99 CO 0.16 0.46 1.20 -0.92 -0.92 0.00 0.00 175.35 175.33 1n02 h TYR 100 N 5.68 0.00 -0.01 3.18 3.20 -1.88 1.10 116.97 128.24 1n02 h TYR 100 Ca -0.39 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.48 1n02 h TYR 100 Cb 1.14 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.41 1n02 h TYR 100 CO 0.40 0.95 0.00 0.39 -1.64 0.00 0.00 178.16 178.26